# generated using pymatgen
data_LaPr6ReI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08974303
_cell_length_b   10.08974250
_cell_length_c   10.08974348
_cell_angle_alpha   106.68436124
_cell_angle_beta   106.68435516
_cell_angle_gamma   106.68436178
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPr6ReI12
_chemical_formula_sum   'La1 Pr6 Re1 I12'
_cell_volume   862.69262504
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  1  0.99805125  0.99805125  0.99805125  1.0
  Pr  Pr1  1  0.52008951  0.59462678  0.79977084  1.0
  Pr  Pr2  1  0.79977084  0.52008951  0.59462678  1.0
  Pr  Pr3  1  0.59462678  0.79977084  0.52008951  1.0
  Pr  Pr4  1  0.47708345  0.40275726  0.19725959  1.0
  Pr  Pr5  1  0.19725959  0.47708345  0.40275726  1.0
  Pr  Pr6  1  0.40275726  0.19725959  0.47708345  1.0
  Re  Re7  1  0.49849248  0.49849248  0.49849248  1.0
  I  I8  1  0.27045238  0.81821128  0.42597024  1.0
  I  I9  1  0.42597024  0.27045238  0.81821128  1.0
  I  I10  1  0.81821128  0.42597024  0.27045238  1.0
  I  I11  1  0.72784446  0.17979372  0.57411838  1.0
  I  I12  1  0.57411838  0.72784446  0.17979372  1.0
  I  I13  1  0.17979372  0.57411838  0.72784446  1.0
  I  I14  1  0.03466668  0.11549127  0.34107545  1.0
  I  I15  1  0.34107545  0.03466668  0.11549127  1.0
  I  I16  1  0.11549127  0.34107545  0.03466668  1.0
  I  I17  1  0.96242162  0.88190288  0.65528947  1.0
  I  I18  1  0.65528947  0.96242162  0.88190288  1.0
  I  I19  1  0.88190288  0.65528947  0.96242162  1.0